SCHEMBL6370877

SCHEMBL6370877

CCOC(=O)C(OCC(=O)OCCS(=O)(=O)c1ccc(C)cc1)(Oc1ccc(S(=O)(=O)Cl)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 7/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3391356 0.78 GAA (0.52) KMT2AALDH1A1TP53GAANPSR1
SCHEMBL5760945 0.75 KMT2A (0.43) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL5760942 0.71 KMT2A (0.45) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL5368616 0.69 ALDH1A1 (0.56) KMT2AALDH1A1GAALMNAKDM4E
SCHEMBL5361897 0.69 KMT2A (0.43) KMT2AALDH1A1GAALMNACYP3A4
SCHEMBL5762956 0.68 KMT2A (0.44) KMT2AALDH1A1GAANPSR1LMNA
SCHEMBL4811489 0.68 PPARA (0.68) ALDH1A1GAANPSR1CYP3A4ABCB11
SCHEMBL14578750 0.68 LMNA (0.61) KMT2AALDH1A1GAALMNACYP3A4
SCHEMBL22374700 0.67 TSHR (0.48) KMT2AALDH1A1TP53GAANPSR1
SCHEMBL5761722 0.67 GAA (0.56) KMT2AALDH1A1TP53GAANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI KMT2A 2483/4885ALDH1A1 397/4885TP53 1314/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 KMT2A 1672/4885ALDH1A1 1650/4885TP53 3287/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI KMT2A 2592/4885ALDH1A1 405/4885TP53 913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.